1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine

C12H23N3O2 — CID 103412839

IUPAC1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(CCCOCCOC)c1
InChIInChI=1S/C12H23N3O2/c1-11(13-2)12-9-14-15(10-12)5-4-6-17-8-7-16-3/h9-11,13H,4-8H2,1-3H3
InChIKeyVFBCKBQKZKRXOB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds9

About 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine

1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine (PubChem CID 103412839) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine
PubChem CID103412839
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(CCCOCCOC)c1
InChIInChI=1S/C12H23N3O2/c1-11(13-2)12-9-14-15(10-12)5-4-6-17-8-7-16-3/h9-11,13H,4-8H2,1-3H3
InChIKeyVFBCKBQKZKRXOB-UHFFFAOYSA-N
XLogP1.22
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine
CID 104649601
N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412841
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
N-[[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103412837
[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
CID 103412880
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
CID 115518233
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 103411322
1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 103413590
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 114130438
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
CID 104566990
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine (CID 103412839) is 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine is CNC(C)c1cnn(CCCOCCOC)c1.
What is the InChIKey of 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine?
The InChIKey is VFBCKBQKZKRXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(13-2)12-9-14-15(10-12)5-4-6-17-8-7-16-3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine?
1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 103412839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).